5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid

C14H21N3O3 — CID 114393920

IUPAC5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O3/c18-13-10-12(16-7-3-1-4-8-16)11-15-17(13)9-5-2-6-14(19)20/h10-11H,1-9H2,(H,19,20)
InChIKeyWLMBGKMWSIZBSV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.49
Rot. Bonds6

About 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid

5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid (PubChem CID 114393920) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid
PubChem CID114393920
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O3/c18-13-10-12(16-7-3-1-4-8-16)11-15-17(13)9-5-2-6-14(19)20/h10-11H,1-9H2,(H,19,20)
InChIKeyWLMBGKMWSIZBSV-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid?
The IUPAC name of 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid (CID 114393920) is 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid is O=C(O)CCCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid?
The InChIKey is WLMBGKMWSIZBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13-10-12(16-7-3-1-4-8-16)11-15-17(13)9-5-2-6-14(19)20/h10-11H,1-9H2,(H,19,20).
What are the key properties of 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid?
5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 114393920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).